smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCONC(=O)CSc1ccc(-c2nn[nH]n2)cc1	ZINC001588689803	1173099006	/nfs/dbraw/zinc/09/90/06/1173099006.db2.gz	QWSXVYGXGDQTAA-UHFFFAOYSA-N	-2	2	291.336	1.193	20	30		CDEDLL
N#Cc1ccc(C(=O)Nc2cc(O)cc(C(N)=O)c2)c(O)c1	ZINC001195759156	924705227	/nfs/dbraw/zinc/70/52/27/924705227.db2.gz	XCVKWRCMUBCGTD-UHFFFAOYSA-N	-2	2	297.270	1.321	20	30		CDEDLL
O=C(N[C@@H]1CCCN(O)C1=O)c1cccc(Cl)c1O	ZINC000848134791	968752094	/nfs/dbraw/zinc/75/20/94/968752094.db2.gz	DTOKSZXJNJEFNZ-SECBINFHSA-N	-2	2	284.699	1.156	20	30		CDEDLL
N#Cc1cccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)c1O	ZINC001193634923	923823622	/nfs/dbraw/zinc/82/36/22/923823622.db2.gz	MHJBDCZBIXCYEO-UHFFFAOYSA-N	-2	2	297.196	1.653	20	30		CDEDLL
N#Cc1cc(O)cc(C(=O)Nc2nc(-c3ccco3)n[nH]2)c1	ZINC000589168473	342498744	/nfs/dbraw/zinc/49/87/44/342498744.db2.gz	IPSBIGSIKQVSSY-UHFFFAOYSA-N	-2	2	295.258	1.894	20	30		CDEDLL
C=CCONC(=O)C1(c2cccc(-c3nn[nH]n3)c2)CC1	ZINC001588689882	1173098399	/nfs/dbraw/zinc/09/83/99/1173098399.db2.gz	UJQHRFIOPPOYKU-UHFFFAOYSA-N	-2	2	285.307	1.132	20	30		CDEDLL
N#Cc1ccc(C(=O)Nc2n[nH]c(-c3ccco3)n2)cc1O	ZINC000188265062	365134823	/nfs/dbraw/zinc/13/48/23/365134823.db2.gz	KWSRSOMYKXAMGH-UHFFFAOYSA-N	-2	2	295.258	1.894	20	30		CDEDLL
N#Cc1ccc(C(=O)Nc2nc(-c3ccco3)n[nH]2)cc1O	ZINC000188265062	365134836	/nfs/dbraw/zinc/13/48/36/365134836.db2.gz	KWSRSOMYKXAMGH-UHFFFAOYSA-N	-2	2	295.258	1.894	20	30		CDEDLL